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CHEBI:68602 - rilpivirine hydrochloride
| Formula | C22H18N6.HCl |
| Net Charge | 0 |
| Average Mass | 402.889 |
| Monoisotopic Mass | 402.13597 |
| SMILES | Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1.Cl |
| InChI | InChI=1S/C22H18N6.ClH/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19;/h3-9,11-13H,1-2H3,(H2,25,26,27,28);1H/b4-3+; |
| InChIKey | KZVVGZKAVZUACK-BJILWQEISA-N |
| Roles Classification |
|---|
| Biological Roles: | EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor A DNA polymerase inhibitor that interferes with the activity of reverse transcriptase, EC 2.7.7.49, a viral DNA polymerase enzyme that retroviruses need in order to reproduce. HIV-1 reverse transcriptase inhibitor An entity which inhibits the activity of HIV-1 reverse transcriptase. |
| Application: | prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| rilpivirine hydrochloride (CHEBI:68602) has part rilpivirine(1+) (CHEBI:68605) |
| rilpivirine hydrochloride (CHEBI:68602) has role EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor (CHEBI:59897) |
| rilpivirine hydrochloride (CHEBI:68602) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756) |
| rilpivirine hydrochloride (CHEBI:68602) has role prodrug (CHEBI:50266) |
| rilpivirine hydrochloride (CHEBI:68602) is a hydrochloride (CHEBI:36807) |
| Incoming Relation(s) |
| Odefsey (CHEBI:133010) has part rilpivirine hydrochloride (CHEBI:68602) |
| IUPAC Name |
|---|
| 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile hydrochloride |
| Synonyms | Source |
|---|---|
| rilpivirine monohydrochloride | ChEBI |
| TMC278 hydrochloride | ChemIDplus |
| 4-{[4-({4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile hydrochloride | IUPAC |
| Brand Name | Source |
|---|---|
| Edurant | KEGG DRUG |
| Manual Xrefs | Databases |
|---|---|
| WO2007147882 | Patent |
| D09958 | KEGG DRUG |
| DBSALT000152 | DrugBank |
| Registry Numbers | Sources |
|---|---|
| CAS:700361-47-3 | ChemIDplus |
| CAS:700361-47-3 | KEGG DRUG |
| Citations |
|---|